2-azanyl-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile Formula: C16H12F3N4O+ MolecularWeight: 333.28789

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)C(F)(F)F)C#N

Isomeric SMILES

CCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C16H11F3N4O/c1-2-24-15-12(8-21)13(11(7-20)14(22)23-15)9-3-5-10(6-4-9)16(17,18)19/h3-6H,2H2,1H3,(H2,22,23)/p+1